N-(cyclopropylmethyl)-4-hydrazinyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine

C13H20N8 — CID 80900414

IUPACN-(cyclopropylmethyl)-4-hydrazinyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCN(CC1CC1)c1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C13H20N8/c1-2-6-20(8-10-3-4-10)12-16-11(19-14)17-13(18-12)21-7-5-15-9-21/h5,7,9-10H,2-4,6,8,14H2,1H3,(H,16,17,18,19)
InChIKeyGGLHXTRRGJZMAK-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.97
Rot. Bonds7

About N-(cyclopropylmethyl)-4-hydrazinyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine

N-(cyclopropylmethyl)-4-hydrazinyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80900414) has the molecular formula C13H20N8 and a molecular weight of 288.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-hydrazinyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-hydrazinyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
PubChem CID80900414
Molecular FormulaC13H20N8
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC NameN-(cyclopropylmethyl)-4-hydrazinyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCN(CC1CC1)c1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C13H20N8/c1-2-6-20(8-10-3-4-10)12-16-11(19-14)17-13(18-12)21-7-5-15-9-21/h5,7,9-10H,2-4,6,8,14H2,1H3,(H,16,17,18,19)
InChIKeyGGLHXTRRGJZMAK-UHFFFAOYSA-N
XLogP0.97
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

N-(cyclopropylmethyl)-N-ethyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80912708
4-hydrazinyl-6-imidazol-1-yl-N,N-dipropyl-1,3,5-triazin-2-amine
CID 80931860
4-N-(cyclopropylmethyl)-2-N,4-N-diethyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80819888
4-hydrazinyl-6-imidazol-1-yl-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
CID 80912687
6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80764046
4-hydrazinyl-6-imidazol-1-yl-N-(4-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 80938412
4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773693
4-N-butyl-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80754617
[4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80898508
2-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83027475
4-hydrazinyl-6-imidazol-1-yl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
CID 113464289
4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80754298

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-hydrazinyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-4-hydrazinyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine (CID 80900414) is N-(cyclopropylmethyl)-4-hydrazinyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-hydrazinyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4-hydrazinyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine is CCCN(CC1CC1)c1nc(NN)nc(-n2ccnc2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-4-hydrazinyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is GGLHXTRRGJZMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N8/c1-2-6-20(8-10-3-4-10)12-16-11(19-14)17-13(18-12)21-7-5-15-9-21/h5,7,9-10H,2-4,6,8,14H2,1H3,(H,16,17,18,19).
What are the key properties of N-(cyclopropylmethyl)-4-hydrazinyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine?
N-(cyclopropylmethyl)-4-hydrazinyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 288.36 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-hydrazinyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80900414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).