3-N-(1-cyclopropylpropan-2-yl)-1H-1,2,4-triazole-3,5-diamine

C8H15N5 — CID 66276901

IUPAC3-N-(1-cyclopropylpropan-2-yl)-1H-1,2,4-triazole-3,5-diamine
SMILESCC(CC1CC1)Nc1n[nH]c(N)n1
InChIInChI=1S/C8H15N5/c1-5(4-6-2-3-6)10-8-11-7(9)12-13-8/h5-6H,2-4H2,1H3,(H4,9,10,11,12,13)
InChIKeySCPKQZRYBPAPBY-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.99
Rot. Bonds4

About 3-N-(1-cyclopropylpropan-2-yl)-1H-1,2,4-triazole-3,5-diamine

3-N-(1-cyclopropylpropan-2-yl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66276901) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-N-(1-cyclopropylpropan-2-yl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(1-cyclopropylpropan-2-yl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID66276901
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name3-N-(1-cyclopropylpropan-2-yl)-1H-1,2,4-triazole-3,5-diamine
SMILESCC(CC1CC1)Nc1n[nH]c(N)n1
InChIInChI=1S/C8H15N5/c1-5(4-6-2-3-6)10-8-11-7(9)12-13-8/h5-6H,2-4H2,1H3,(H4,9,10,11,12,13)
InChIKeySCPKQZRYBPAPBY-UHFFFAOYSA-N
XLogP0.99
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(1-cyclopropylpropan-2-yl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(1-cyclopropylpropan-2-yl)-1H-1,2,4-triazole-3,5-diamine (CID 66276901) is 3-N-(1-cyclopropylpropan-2-yl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(1-cyclopropylpropan-2-yl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(1-cyclopropylpropan-2-yl)-1H-1,2,4-triazole-3,5-diamine is CC(CC1CC1)Nc1n[nH]c(N)n1.
What is the InChIKey of 3-N-(1-cyclopropylpropan-2-yl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is SCPKQZRYBPAPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-5(4-6-2-3-6)10-8-11-7(9)12-13-8/h5-6H,2-4H2,1H3,(H4,9,10,11,12,13).
What are the key properties of 3-N-(1-cyclopropylpropan-2-yl)-1H-1,2,4-triazole-3,5-diamine?
3-N-(1-cyclopropylpropan-2-yl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 181.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-cyclopropylpropan-2-yl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66276901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).