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

C9H15N5 — CID 66275175

IUPAC3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(N(CC2CC2)C2CC2)n[nH]1
InChIInChI=1S/C9H15N5/c10-8-11-9(13-12-8)14(7-3-4-7)5-6-1-2-6/h6-7H,1-5H2,(H3,10,11,12,13)
InChIKeyDVCWDVGGBKWOLR-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.77
Rot. Bonds4

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

3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66275175) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID66275175
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(N(CC2CC2)C2CC2)n[nH]1
InChIInChI=1S/C9H15N5/c10-8-11-9(13-12-8)14(7-3-4-7)5-6-1-2-6/h6-7H,1-5H2,(H3,10,11,12,13)
InChIKeyDVCWDVGGBKWOLR-UHFFFAOYSA-N
XLogP0.77
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1H-1,2,4-triazole-3,5-diamine (CID 66275175) is 3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1H-1,2,4-triazole-3,5-diamine is Nc1nc(N(CC2CC2)C2CC2)n[nH]1.
What is the InChIKey of 3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is DVCWDVGGBKWOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c10-8-11-9(13-12-8)14(7-3-4-7)5-6-1-2-6/h6-7H,1-5H2,(H3,10,11,12,13).
What are the key properties of 3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1H-1,2,4-triazole-3,5-diamine?
3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 193.25 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66275175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).