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

C9H18N4 — CID 58325970

IUPACN-[(1-propan-2-yltriazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cn(C(C)C)nn1
InChIInChI=1S/C9H18N4/c1-7(2)10-5-9-6-13(8(3)4)12-11-9/h6-8,10H,5H2,1-4H3
InChIKeyOHGQHRFBUBGVAF-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.36
Rot. Bonds4

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

N-[(1-propan-2-yltriazol-4-yl)methyl]propan-2-amine (PubChem CID 58325970) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(1-propan-2-yltriazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-propan-2-yltriazol-4-yl)methyl]propan-2-amine
PubChem CID58325970
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN-[(1-propan-2-yltriazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cn(C(C)C)nn1
InChIInChI=1S/C9H18N4/c1-7(2)10-5-9-6-13(8(3)4)12-11-9/h6-8,10H,5H2,1-4H3
InChIKeyOHGQHRFBUBGVAF-UHFFFAOYSA-N
XLogP1.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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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
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(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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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-yltriazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-propan-2-yltriazol-4-yl)methyl]propan-2-amine (CID 58325970) is N-[(1-propan-2-yltriazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-propan-2-yltriazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-propan-2-yltriazol-4-yl)methyl]propan-2-amine is CC(C)NCc1cn(C(C)C)nn1.
What is the InChIKey of N-[(1-propan-2-yltriazol-4-yl)methyl]propan-2-amine?
The InChIKey is OHGQHRFBUBGVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-7(2)10-5-9-6-13(8(3)4)12-11-9/h6-8,10H,5H2,1-4H3.
What are the key properties of N-[(1-propan-2-yltriazol-4-yl)methyl]propan-2-amine?
N-[(1-propan-2-yltriazol-4-yl)methyl]propan-2-amine has a molecular weight of 182.27 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-yltriazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 58325970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).