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

C7H15N7 — CID 83024057

IUPAC3-N-(4-methylpiperazin-1-yl)-1H-1,2,4-triazole-3,5-diamine
SMILESCN1CCN(Nc2n[nH]c(N)n2)CC1
InChIInChI=1S/C7H15N7/c1-13-2-4-14(5-3-13)12-7-9-6(8)10-11-7/h2-5H2,1H3,(H4,8,9,10,11,12)
InChIKeyRCSFIJHYGHYBOR-UHFFFAOYSA-N
MW197.25 g/mol
LogP-1.04
Rot. Bonds2

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

3-N-(4-methylpiperazin-1-yl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 83024057) has the molecular formula C7H15N7 and a molecular weight of 197.25 g/mol. Its IUPAC name is 3-N-(4-methylpiperazin-1-yl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(4-methylpiperazin-1-yl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID83024057
Molecular FormulaC7H15N7
Molecular Weight197.25 g/mol
Exact Mass197.14
IUPAC Name3-N-(4-methylpiperazin-1-yl)-1H-1,2,4-triazole-3,5-diamine
SMILESCN1CCN(Nc2n[nH]c(N)n2)CC1
InChIInChI=1S/C7H15N7/c1-13-2-4-14(5-3-13)12-7-9-6(8)10-11-7/h2-5H2,1H3,(H4,8,9,10,11,12)
InChIKeyRCSFIJHYGHYBOR-UHFFFAOYSA-N
XLogP-1.04
TPSA86.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methylpiperazin-1-yl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(4-methylpiperazin-1-yl)-1H-1,2,4-triazole-3,5-diamine (CID 83024057) is 3-N-(4-methylpiperazin-1-yl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(4-methylpiperazin-1-yl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(4-methylpiperazin-1-yl)-1H-1,2,4-triazole-3,5-diamine is CN1CCN(Nc2n[nH]c(N)n2)CC1.
What is the InChIKey of 3-N-(4-methylpiperazin-1-yl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is RCSFIJHYGHYBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N7/c1-13-2-4-14(5-3-13)12-7-9-6(8)10-11-7/h2-5H2,1H3,(H4,8,9,10,11,12).
What are the key properties of 3-N-(4-methylpiperazin-1-yl)-1H-1,2,4-triazole-3,5-diamine?
3-N-(4-methylpiperazin-1-yl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 197.25 g/mol, XLogP of -1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methylpiperazin-1-yl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 83024057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).