N-[(1-propyltriazol-4-yl)methyl]propan-2-amine

C9H18N4 — CID 66193770

IUPACN-[(1-propyltriazol-4-yl)methyl]propan-2-amine
SMILESCCCn1cc(CNC(C)C)nn1
InChIInChI=1S/C9H18N4/c1-4-5-13-7-9(11-12-13)6-10-8(2)3/h7-8,10H,4-6H2,1-3H3
InChIKeyMYLDOPOROHICLU-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.19
Rot. Bonds5

About N-[(1-propyltriazol-4-yl)methyl]propan-2-amine

N-[(1-propyltriazol-4-yl)methyl]propan-2-amine (PubChem CID 66193770) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(1-propyltriazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-propyltriazol-4-yl)methyl]propan-2-amine
PubChem CID66193770
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN-[(1-propyltriazol-4-yl)methyl]propan-2-amine
SMILESCCCn1cc(CNC(C)C)nn1
InChIInChI=1S/C9H18N4/c1-4-5-13-7-9(11-12-13)6-10-8(2)3/h7-8,10H,4-6H2,1-3H3
InChIKeyMYLDOPOROHICLU-UHFFFAOYSA-N
XLogP1.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(1-ethyltriazol-4-yl)methyl]-N-methylprop-2-yn-1-amine
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(1-Methyl-1H-1,2,3-triazol-5-YL)methanamine
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1-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
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2-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]propan-2-amine
CID 64003978
(1-methyl-1H-1,2,3-triazol-4-yl)methanamine hydrochloride
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(1-ethyl-1H-1,2,3-triazol-5-yl)methanamine
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2-(1-ethyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
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1-(1-methyl-1H-1,2,3-triazol-5-yl)methanamine hydrochloride
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methyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amine hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[(1-propyltriazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-propyltriazol-4-yl)methyl]propan-2-amine (CID 66193770) is N-[(1-propyltriazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-propyltriazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-propyltriazol-4-yl)methyl]propan-2-amine is CCCn1cc(CNC(C)C)nn1.
What is the InChIKey of N-[(1-propyltriazol-4-yl)methyl]propan-2-amine?
The InChIKey is MYLDOPOROHICLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-5-13-7-9(11-12-13)6-10-8(2)3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of N-[(1-propyltriazol-4-yl)methyl]propan-2-amine?
N-[(1-propyltriazol-4-yl)methyl]propan-2-amine has a molecular weight of 182.27 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propyltriazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 66193770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).