[4-[2-(4-methyltriazol-1-yl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone

C15H20N6O2 — CID 56888206

IUPAC[4-[2-(4-methyltriazol-1-yl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1cn(CCNc2ccnc(C(=O)N3CCOCC3)c2)nn1
InChIInChI=1S/C15H20N6O2/c1-12-11-21(19-18-12)5-4-16-13-2-3-17-14(10-13)15(22)20-6-8-23-9-7-20/h2-3,10-11H,4-9H2,1H3,(H,16,17)
InChIKeyNNGSDUZRARHESR-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.57
Rot. Bonds5

About [4-[2-(4-methyltriazol-1-yl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone

[4-[2-(4-methyltriazol-1-yl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 56888206) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is [4-[2-(4-methyltriazol-1-yl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-(4-methyltriazol-1-yl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID56888206
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name[4-[2-(4-methyltriazol-1-yl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1cn(CCNc2ccnc(C(=O)N3CCOCC3)c2)nn1
InChIInChI=1S/C15H20N6O2/c1-12-11-21(19-18-12)5-4-16-13-2-3-17-14(10-13)15(22)20-6-8-23-9-7-20/h2-3,10-11H,4-9H2,1H3,(H,16,17)
InChIKeyNNGSDUZRARHESR-UHFFFAOYSA-N
XLogP0.57
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(4-methyltriazol-1-yl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide
CID 56901236
[4-(2-methoxyethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109205842
1-[2-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]ethyl]imidazolidin-2-one
CID 56882413
[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206428
[4-(furan-2-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206395
[4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206408
[4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208113
1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone
CID 109206514
N-(2-methylpropyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109079570
[4-[4-(dimethylamino)anilino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206522
2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone
CID 133490707
[4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204430

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methyltriazol-1-yl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-(4-methyltriazol-1-yl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone (CID 56888206) is [4-[2-(4-methyltriazol-1-yl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-(4-methyltriazol-1-yl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-(4-methyltriazol-1-yl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone is Cc1cn(CCNc2ccnc(C(=O)N3CCOCC3)c2)nn1.
What is the InChIKey of [4-[2-(4-methyltriazol-1-yl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is NNGSDUZRARHESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-12-11-21(19-18-12)5-4-16-13-2-3-17-14(10-13)15(22)20-6-8-23-9-7-20/h2-3,10-11H,4-9H2,1H3,(H,16,17).
What are the key properties of [4-[2-(4-methyltriazol-1-yl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone?
[4-[2-(4-methyltriazol-1-yl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 316.37 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methyltriazol-1-yl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56888206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).