3-N-(cyclopropylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine

C7H13N5 — CID 66276657

IUPAC3-N-(cyclopropylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
SMILESCN(CC1CC1)c1n[nH]c(N)n1
InChIInChI=1S/C7H13N5/c1-12(4-5-2-3-5)7-9-6(8)10-11-7/h5H,2-4H2,1H3,(H3,8,9,10,11)
InChIKeyAHUCYDAOEHDWQJ-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.23
Rot. Bonds3

About 3-N-(cyclopropylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine

3-N-(cyclopropylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66276657) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 3-N-(cyclopropylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(cyclopropylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
PubChem CID66276657
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name3-N-(cyclopropylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
SMILESCN(CC1CC1)c1n[nH]c(N)n1
InChIInChI=1S/C7H13N5/c1-12(4-5-2-3-5)7-9-6(8)10-11-7/h5H,2-4H2,1H3,(H3,8,9,10,11)
InChIKeyAHUCYDAOEHDWQJ-UHFFFAOYSA-N
XLogP0.23
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclopropylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(cyclopropylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine (CID 66276657) is 3-N-(cyclopropylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(cyclopropylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(cyclopropylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine is CN(CC1CC1)c1n[nH]c(N)n1.
What is the InChIKey of 3-N-(cyclopropylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is AHUCYDAOEHDWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-12(4-5-2-3-5)7-9-6(8)10-11-7/h5H,2-4H2,1H3,(H3,8,9,10,11).
What are the key properties of 3-N-(cyclopropylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
3-N-(cyclopropylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 167.22 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclopropylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66276657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).