1-(5-methyl-2H-triazol-4-yl)propane-1,3-diamine

C6H13N5 — CID 57079527

IUPAC1-(5-methyl-2H-triazol-4-yl)propane-1,3-diamine
SMILESCc1n[nH]nc1C(N)CCN
InChIInChI=1S/C6H13N5/c1-4-6(10-11-9-4)5(8)2-3-7/h5H,2-3,7-8H2,1H3,(H,9,10,11)
InChIKeyKAQLJTVMHMEAHF-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.54
Rot. Bonds3

About 1-(5-methyl-2H-triazol-4-yl)propane-1,3-diamine

1-(5-methyl-2H-triazol-4-yl)propane-1,3-diamine (PubChem CID 57079527) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(5-methyl-2H-triazol-4-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(5-methyl-2H-triazol-4-yl)propane-1,3-diamine
PubChem CID57079527
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name1-(5-methyl-2H-triazol-4-yl)propane-1,3-diamine
SMILESCc1n[nH]nc1C(N)CCN
InChIInChI=1S/C6H13N5/c1-4-6(10-11-9-4)5(8)2-3-7/h5H,2-3,7-8H2,1H3,(H,9,10,11)
InChIKeyKAQLJTVMHMEAHF-UHFFFAOYSA-N
XLogP-0.54
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2H-triazol-4-yl)propane-1,3-diamine?
The IUPAC name of 1-(5-methyl-2H-triazol-4-yl)propane-1,3-diamine (CID 57079527) is 1-(5-methyl-2H-triazol-4-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(5-methyl-2H-triazol-4-yl)propane-1,3-diamine?
The canonical SMILES for 1-(5-methyl-2H-triazol-4-yl)propane-1,3-diamine is Cc1n[nH]nc1C(N)CCN.
What is the InChIKey of 1-(5-methyl-2H-triazol-4-yl)propane-1,3-diamine?
The InChIKey is KAQLJTVMHMEAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-4-6(10-11-9-4)5(8)2-3-7/h5H,2-3,7-8H2,1H3,(H,9,10,11).
What are the key properties of 1-(5-methyl-2H-triazol-4-yl)propane-1,3-diamine?
1-(5-methyl-2H-triazol-4-yl)propane-1,3-diamine has a molecular weight of 155.20 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2H-triazol-4-yl)propane-1,3-diamine is sourced from PubChem (CID 57079527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).