N,N-diethyl-1-(triazol-1-yl)propan-1-amine

C9H18N4 — CID 91155754

IUPACN,N-diethyl-1-(triazol-1-yl)propan-1-amine
SMILESCCC(N(CC)CC)n1ccnn1
InChIInChI=1S/C9H18N4/c1-4-9(12(5-2)6-3)13-8-7-10-11-13/h7-9H,4-6H2,1-3H3
InChIKeyPWIMDQQTCDRSAC-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.53
Rot. Bonds5

About N,N-diethyl-1-(triazol-1-yl)propan-1-amine

N,N-diethyl-1-(triazol-1-yl)propan-1-amine (PubChem CID 91155754) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N,N-diethyl-1-(triazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1-(triazol-1-yl)propan-1-amine
PubChem CID91155754
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN,N-diethyl-1-(triazol-1-yl)propan-1-amine
SMILESCCC(N(CC)CC)n1ccnn1
InChIInChI=1S/C9H18N4/c1-4-9(12(5-2)6-3)13-8-7-10-11-13/h7-9H,4-6H2,1-3H3
InChIKeyPWIMDQQTCDRSAC-UHFFFAOYSA-N
XLogP1.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyloctan-3-yl)triazole
CID 167298124
2-amino-2-(triazol-1-yl)ethanol
CID 174538869
N-methyl-N-[2-(triazol-1-yl)propyl]formamide
CID 90155563
N,N-dimethyl-1-pyrazol-1-ylpropan-1-amine
CID 173051890
2-(triazol-1-yl)heptanoic acid
CID 69479443
1-[1-(6-chloronaphthalen-2-yl)propyl]triazole
CID 174631783
2-sulfanyl-2-(triazol-1-yl)acetonitrile
CID 135340388
1-[(1S)-1-phenylethyl]triazole
CID 175706857
2,3-bis(triazol-1-yl)propan-1-ol
CID 118272391
3-methoxy-2-(triazol-1-yl)propanamide
CID 91293121
(2R)-1-(triazol-1-yl)propan-2-amine
CID 59543908
methyl (2S,3R)-2-amino-3-(triazol-1-yl)butanoate
CID 99737599

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(triazol-1-yl)propan-1-amine?
The IUPAC name of N,N-diethyl-1-(triazol-1-yl)propan-1-amine (CID 91155754) is N,N-diethyl-1-(triazol-1-yl)propan-1-amine.
What is the SMILES notation for N,N-diethyl-1-(triazol-1-yl)propan-1-amine?
The canonical SMILES for N,N-diethyl-1-(triazol-1-yl)propan-1-amine is CCC(N(CC)CC)n1ccnn1.
What is the InChIKey of N,N-diethyl-1-(triazol-1-yl)propan-1-amine?
The InChIKey is PWIMDQQTCDRSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-9(12(5-2)6-3)13-8-7-10-11-13/h7-9H,4-6H2,1-3H3.
What are the key properties of N,N-diethyl-1-(triazol-1-yl)propan-1-amine?
N,N-diethyl-1-(triazol-1-yl)propan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(triazol-1-yl)propan-1-amine is sourced from PubChem (CID 91155754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).