N-(1-cyclopropylpropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C13H23N7 — CID 80911324

IUPACN-(1-cyclopropylpropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCC(CC1CC1)Nc1nc(NN)nc(N2CCCC2)n1
InChIInChI=1S/C13H23N7/c1-9(8-10-4-5-10)15-11-16-12(19-14)18-13(17-11)20-6-2-3-7-20/h9-10H,2-8,14H2,1H3,(H2,15,16,17,18,19)
InChIKeyLFMNWKYHAMDVAC-UHFFFAOYSA-N
MW277.38 g/mol
LogP1.36
Rot. Bonds6

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

N-(1-cyclopropylpropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80911324) has the molecular formula C13H23N7 and a molecular weight of 277.38 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80911324
Molecular FormulaC13H23N7
Molecular Weight277.38 g/mol
Exact Mass277.20
IUPAC NameN-(1-cyclopropylpropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCC(CC1CC1)Nc1nc(NN)nc(N2CCCC2)n1
InChIInChI=1S/C13H23N7/c1-9(8-10-4-5-10)15-11-16-12(19-14)18-13(17-11)20-6-2-3-7-20/h9-10H,2-8,14H2,1H3,(H2,15,16,17,18,19)
InChIKeyLFMNWKYHAMDVAC-UHFFFAOYSA-N
XLogP1.36
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

2-N-(1-cyclopropylpropan-2-yl)-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80820229
N-(1-ethoxypropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80903537
N-(cyclopropylmethyl)-4-hydrazinyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80899275
N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80899003
[4-(3-ethylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80898510
4-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80899693
4-N-[(4-ethylcyclohexyl)methyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 142023617
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
N-propan-2-yl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 623866
2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855156
3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
CID 80915279
4-hydrazinyl-N-(4-methylpentyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80904327

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80911324) is N-(1-cyclopropylpropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CC(CC1CC1)Nc1nc(NN)nc(N2CCCC2)n1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is LFMNWKYHAMDVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7/c1-9(8-10-4-5-10)15-11-16-12(19-14)18-13(17-11)20-6-2-3-7-20/h9-10H,2-8,14H2,1H3,(H2,15,16,17,18,19).
What are the key properties of N-(1-cyclopropylpropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-(1-cyclopropylpropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 277.38 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80911324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).