3-N-propyl-1H-1,2,4-triazole-3,5-diamine

C5H11N5 — CID 11298014

IUPAC3-N-propyl-1H-1,2,4-triazole-3,5-diamine
SMILESCCCNc1n[nH]c(N)n1
InChIInChI=1S/C5H11N5/c1-2-3-7-5-8-4(6)9-10-5/h2-3H2,1H3,(H4,6,7,8,9,10)
InChIKeyMQJLXZBPFLYTIJ-UHFFFAOYSA-N
MW141.18 g/mol
LogP0.21
Rot. Bonds3

About 3-N-propyl-1H-1,2,4-triazole-3,5-diamine

3-N-propyl-1H-1,2,4-triazole-3,5-diamine (PubChem CID 11298014) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is 3-N-propyl-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-propyl-1H-1,2,4-triazole-3,5-diamine
PubChem CID11298014
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name3-N-propyl-1H-1,2,4-triazole-3,5-diamine
SMILESCCCNc1n[nH]c(N)n1
InChIInChI=1S/C5H11N5/c1-2-3-7-5-8-4(6)9-10-5/h2-3H2,1H3,(H4,6,7,8,9,10)
InChIKeyMQJLXZBPFLYTIJ-UHFFFAOYSA-N
XLogP0.21
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-propyl-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-propyl-1H-1,2,4-triazole-3,5-diamine (CID 11298014) is 3-N-propyl-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-propyl-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-propyl-1H-1,2,4-triazole-3,5-diamine is CCCNc1n[nH]c(N)n1.
What is the InChIKey of 3-N-propyl-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is MQJLXZBPFLYTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c1-2-3-7-5-8-4(6)9-10-5/h2-3H2,1H3,(H4,6,7,8,9,10).
What are the key properties of 3-N-propyl-1H-1,2,4-triazole-3,5-diamine?
3-N-propyl-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 141.18 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-propyl-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 11298014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).