3-N-butyl-3-N-cyclopropyl-1H-1,2,4-triazole-3,5-diamine

C9H17N5 — CID 66275364

IUPAC3-N-butyl-3-N-cyclopropyl-1H-1,2,4-triazole-3,5-diamine
SMILESCCCCN(c1n[nH]c(N)n1)C1CC1
InChIInChI=1S/C9H17N5/c1-2-3-6-14(7-4-5-7)9-11-8(10)12-13-9/h7H,2-6H2,1H3,(H3,10,11,12,13)
InChIKeyQQMWPUCGSVXMTR-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.16
Rot. Bonds5

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

3-N-butyl-3-N-cyclopropyl-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66275364) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-N-butyl-3-N-cyclopropyl-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-butyl-3-N-cyclopropyl-1H-1,2,4-triazole-3,5-diamine
PubChem CID66275364
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name3-N-butyl-3-N-cyclopropyl-1H-1,2,4-triazole-3,5-diamine
SMILESCCCCN(c1n[nH]c(N)n1)C1CC1
InChIInChI=1S/C9H17N5/c1-2-3-6-14(7-4-5-7)9-11-8(10)12-13-9/h7H,2-6H2,1H3,(H3,10,11,12,13)
InChIKeyQQMWPUCGSVXMTR-UHFFFAOYSA-N
XLogP1.16
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66275175
3-N-(cyclopropylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
CID 66276657
5-N-butyl-5-N-cyclopropyl-4-methyl-1,2-thiazole-3,5-diamine
CID 103360824
3-N-methyl-3-N-(2-methylcyclohexyl)-1H-1,2,4-triazole-3,5-diamine
CID 66274935
3-N-ethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
CID 66277105
2-N-butyl-2-N-cyclopropyl-6-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80799249
3-[butyl(cyclopropyl)amino]-4-cyclopropyl-1H-1,2,4-triazole-5-thione
CID 61445809
2-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 116796417
N-butyl-4-chloro-N-cyclopropyl-6-propoxy-1,3,5-triazin-2-amine
CID 62863220
4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80799335
2-N-cyclopropyl-2-N-propylpyrimidine-2,5-diamine
CID 61147883
2-N-butyl-2-N-cyclopropyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 63402583

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-3-N-cyclopropyl-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-butyl-3-N-cyclopropyl-1H-1,2,4-triazole-3,5-diamine (CID 66275364) is 3-N-butyl-3-N-cyclopropyl-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-butyl-3-N-cyclopropyl-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-butyl-3-N-cyclopropyl-1H-1,2,4-triazole-3,5-diamine is CCCCN(c1n[nH]c(N)n1)C1CC1.
What is the InChIKey of 3-N-butyl-3-N-cyclopropyl-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is QQMWPUCGSVXMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-2-3-6-14(7-4-5-7)9-11-8(10)12-13-9/h7H,2-6H2,1H3,(H3,10,11,12,13).
What are the key properties of 3-N-butyl-3-N-cyclopropyl-1H-1,2,4-triazole-3,5-diamine?
3-N-butyl-3-N-cyclopropyl-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 195.27 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-3-N-cyclopropyl-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66275364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).