(1S)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1-(3-methyl-2-pyridinyl)propan-1-amine

C16H25N5 — CID 97060115

IUPAC(1S)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1-(3-methyl-2-pyridinyl)propan-1-amine
SMILESCCn1c(C)nnc1CN[C@H](c1ncccc1C)C(C)C
InChIInChI=1S/C16H25N5/c1-6-21-13(5)19-20-14(21)10-18-15(11(2)3)16-12(4)8-7-9-17-16/h7-9,11,15,18H,6,10H2,1-5H3/t15-/m0/s1
InChIKeyUPUPUURDPVEURR-HNNXBMFYSA-N
MW287.41 g/mol
LogP2.80
Rot. Bonds6

About (1S)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1-(3-methyl-2-pyridinyl)propan-1-amine

(1S)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1-(3-methyl-2-pyridinyl)propan-1-amine (PubChem CID 97060115) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is (1S)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1-(3-methyl-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1-(3-methyl-2-pyridinyl)propan-1-amine
PubChem CID97060115
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name(1S)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1-(3-methyl-2-pyridinyl)propan-1-amine
SMILESCCn1c(C)nnc1CN[C@H](c1ncccc1C)C(C)C
InChIInChI=1S/C16H25N5/c1-6-21-13(5)19-20-14(21)10-18-15(11(2)3)16-12(4)8-7-9-17-16/h7-9,11,15,18H,6,10H2,1-5H3/t15-/m0/s1
InChIKeyUPUPUURDPVEURR-HNNXBMFYSA-N
XLogP2.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1-(3-methyl-2-pyridinyl)propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-(4-cyclohexylphenyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine
CID 97060116
2-methyl-1-(3-methyl-2-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 115752072
9-methyl-2-[[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 97007871
2-methyl-3-(methylamino)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 119885559
4-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]acetyl]piperazin-2-one
CID 71999884
1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 111462130
(2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide
CID 95628271
1-(3,4-difluorophenyl)-2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]ethanol
CID 111462126
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 166208283
2,3,5,6-tetrafluoro-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]pyridin-4-amine
CID 133388022
1-(2-ethyl-2-hydroxybutyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 111414441
N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide
CID 86957844

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1-(3-methyl-2-pyridinyl)propan-1-amine?
The IUPAC name of (1S)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1-(3-methyl-2-pyridinyl)propan-1-amine (CID 97060115) is (1S)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1-(3-methyl-2-pyridinyl)propan-1-amine.
What is the SMILES notation for (1S)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1-(3-methyl-2-pyridinyl)propan-1-amine?
The canonical SMILES for (1S)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1-(3-methyl-2-pyridinyl)propan-1-amine is CCn1c(C)nnc1CN[C@H](c1ncccc1C)C(C)C.
What is the InChIKey of (1S)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1-(3-methyl-2-pyridinyl)propan-1-amine?
The InChIKey is UPUPUURDPVEURR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N5/c1-6-21-13(5)19-20-14(21)10-18-15(11(2)3)16-12(4)8-7-9-17-16/h7-9,11,15,18H,6,10H2,1-5H3/t15-/m0/s1.
What are the key properties of (1S)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1-(3-methyl-2-pyridinyl)propan-1-amine?
(1S)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1-(3-methyl-2-pyridinyl)propan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1-(3-methyl-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 97060115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).