N-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide

C15H29N5O — CID 66194414

IUPACN-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
SMILESCC(C)CCNC(=O)C(C)n1cc(CNCC(C)C)nn1
InChIInChI=1S/C15H29N5O/c1-11(2)6-7-17-15(21)13(5)20-10-14(18-19-20)9-16-8-12(3)4/h10-13,16H,6-9H2,1-5H3,(H,17,21)
InChIKeyQXYWPEMTLQIISW-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.75
Rot. Bonds9

About N-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide

N-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide (PubChem CID 66194414) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
PubChem CID66194414
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC NameN-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
SMILESCC(C)CCNC(=O)C(C)n1cc(CNCC(C)C)nn1
InChIInChI=1S/C15H29N5O/c1-11(2)6-7-17-15(21)13(5)20-10-14(18-19-20)9-16-8-12(3)4/h10-13,16H,6-9H2,1-5H3,(H,17,21)
InChIKeyQXYWPEMTLQIISW-UHFFFAOYSA-N
XLogP1.75
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

AS-Mono-GK-DP
CID 25162991
2-(diethylamino)-N-[(1-heptyltriazol-4-yl)methyl]acetamide
CID 51050543
(4R)-4-{4-[(diethylamino)methyl]-1H-1,2,3-triazol-1-yl}-N-ethyl-L-prolinamide
CID 56715148
1-cyclopropyl-N-(3-(dimethylamino)propyl)-1H-1,2,3-triazole-4-carboxamide
CID 132210955
methyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)triazol-1-yl]acetyl]amino]butanoyl]amino]butanoyl]amino]butanoate; nickel
CID 155924052
methyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)triazol-1-yl]acetyl]amino]butanoyl]amino]butanoyl]amino]butanoate; zinc
CID 155924878
copper; methyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)triazol-1-yl]acetyl]amino]butanoyl]amino]butanoyl]amino]butanoate
CID 155925749
2-[2-Methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]acetamide
CID 132355680
N-[[1-[(2S)-1-cyclopropyl-1-oxopropan-2-yl]triazol-4-yl]methyl]-2-ethylbutanamide
CID 164629904
2-[4-(aminomethyl)triazol-1-yl]-N-(3,3,3-trifluoropropyl)acetamide
CID 113314179
2-[4-(aminomethyl)triazol-1-yl]-N-(3,3,3-trifluoropropyl)propanamide
CID 169139545
N-[2-fluoro-1-(3-methyltriazol-4-yl)ethyl]-2,2-dimethylpropanamide
CID 169875658

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide?
The IUPAC name of N-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide (CID 66194414) is N-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide is CC(C)CCNC(=O)C(C)n1cc(CNCC(C)C)nn1.
What is the InChIKey of N-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide?
The InChIKey is QXYWPEMTLQIISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-11(2)6-7-17-15(21)13(5)20-10-14(18-19-20)9-16-8-12(3)4/h10-13,16H,6-9H2,1-5H3,(H,17,21).
What are the key properties of N-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide?
N-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide has a molecular weight of 295.43 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide is sourced from PubChem (CID 66194414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).