N-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C10H15N9 — CID 80894340

IUPACN-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESNNc1nc(NCC2CCC2)nc(-n2cncn2)n1
InChIInChI=1S/C10H15N9/c11-18-9-15-8(13-4-7-2-1-3-7)16-10(17-9)19-6-12-5-14-19/h5-7H,1-4,11H2,(H2,13,15,16,17,18)
InChIKeyYAPJZCBACIMULH-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.05
Rot. Bonds5

About N-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

N-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80894340) has the molecular formula C10H15N9 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80894340
Molecular FormulaC10H15N9
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESNNc1nc(NCC2CCC2)nc(-n2cncn2)n1
InChIInChI=1S/C10H15N9/c11-18-9-15-8(13-4-7-2-1-3-7)16-10(17-9)19-6-12-5-14-19/h5-7H,1-4,11H2,(H2,13,15,16,17,18)
InChIKeyYAPJZCBACIMULH-UHFFFAOYSA-N
XLogP-0.05
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(cyclopentylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 55125550
4-hydrazinyl-N-(thian-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80929006
N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80918885
5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80910159
[4-cyclohexyloxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80909888
4-hydrazinyl-N-(3-methoxypropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80942901
2-[3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311874
N-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80906636
4-hydrazinyl-N-(2-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80919626
[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80925470
2-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80774283
4-N-ethyl-2-N-(thiolan-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80841679

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80894340) is N-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is NNc1nc(NCC2CCC2)nc(-n2cncn2)n1.
What is the InChIKey of N-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is YAPJZCBACIMULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N9/c11-18-9-15-8(13-4-7-2-1-3-7)16-10(17-9)19-6-12-5-14-19/h5-7H,1-4,11H2,(H2,13,15,16,17,18).
What are the key properties of N-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
N-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 261.29 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80894340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).