[5-chloro-6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone

C17H21ClN6O2 — CID 126803255

IUPAC[5-chloro-6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1nnc(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)n1C1CC1
InChIInChI=1S/C17H21ClN6O2/c1-11-21-22-15(24(11)13-2-3-13)10-20-16-14(18)8-12(9-19-16)17(25)23-4-6-26-7-5-23/h8-9,13H,2-7,10H2,1H3,(H,19,20)
InChIKeyBUHOXGYNVCEGOQ-UHFFFAOYSA-N
MW376.85 g/mol
LogP2.05
Rot. Bonds5

About [5-chloro-6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 126803255) has the molecular formula C17H21ClN6O2 and a molecular weight of 376.85 g/mol. Its IUPAC name is [5-chloro-6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID126803255
Molecular FormulaC17H21ClN6O2
Molecular Weight376.85 g/mol
Exact Mass376.14
IUPAC Name[5-chloro-6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1nnc(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)n1C1CC1
InChIInChI=1S/C17H21ClN6O2/c1-11-21-22-15(24(11)13-2-3-13)10-20-16-14(18)8-12(9-19-16)17(25)23-4-6-26-7-5-23/h8-9,13H,2-7,10H2,1H3,(H,19,20)
InChIKeyBUHOXGYNVCEGOQ-UHFFFAOYSA-N
XLogP2.05
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-chloro-6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
[5-chloro-6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133405667
[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273295
[5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273421
[6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273341
4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide
CID 133273291
[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133293714
N-[2-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]ethyl]-2,2-dimethylpropanamide
CID 133326860
[5-chloro-6-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273389
[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273306
3-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-2-hydroxy-N-methylpropanamide
CID 126813265

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 126803255) is [5-chloro-6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is Cc1nnc(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)n1C1CC1.
What is the InChIKey of [5-chloro-6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is BUHOXGYNVCEGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6O2/c1-11-21-22-15(24(11)13-2-3-13)10-20-16-14(18)8-12(9-19-16)17(25)23-4-6-26-7-5-23/h8-9,13H,2-7,10H2,1H3,(H,19,20).
What are the key properties of [5-chloro-6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 376.85 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 126803255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).