4-(4-iodopyrazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C11H14IN7 — CID 80867983

IUPAC4-(4-iodopyrazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(N2CCCC2)nc(-n2cc(I)cn2)n1
InChIInChI=1S/C11H14IN7/c1-13-9-15-10(18-4-2-3-5-18)17-11(16-9)19-7-8(12)6-14-19/h6-7H,2-5H2,1H3,(H,13,15,16,17)
InChIKeyPBVIMZFDPIRSQE-UHFFFAOYSA-N
MW371.19 g/mol
LogP1.30
Rot. Bonds3

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

4-(4-iodopyrazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80867983) has the molecular formula C11H14IN7 and a molecular weight of 371.19 g/mol. Its IUPAC name is 4-(4-iodopyrazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-iodopyrazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80867983
Molecular FormulaC11H14IN7
Molecular Weight371.19 g/mol
Exact Mass371.04
IUPAC Name4-(4-iodopyrazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(N2CCCC2)nc(-n2cc(I)cn2)n1
InChIInChI=1S/C11H14IN7/c1-13-9-15-10(18-4-2-3-5-18)17-11(16-9)19-7-8(12)6-14-19/h6-7H,2-5H2,1H3,(H,13,15,16,17)
InChIKeyPBVIMZFDPIRSQE-UHFFFAOYSA-N
XLogP1.30
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(4-chloropyrazol-1-yl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80857845
3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 103358954
1-[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 80749464
2-N-(2-iodophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80737478
4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 81109328
N-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80767498
2-N,4-N,4-N-trimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80764986
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80857869
N-tert-butyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 974630
N-methyl-4-(pyridin-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 104737277
4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331139
2-N-benzyl-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80771043

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodopyrazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-iodopyrazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80867983) is 4-(4-iodopyrazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-iodopyrazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-iodopyrazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CNc1nc(N2CCCC2)nc(-n2cc(I)cn2)n1.
What is the InChIKey of 4-(4-iodopyrazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is PBVIMZFDPIRSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN7/c1-13-9-15-10(18-4-2-3-5-18)17-11(16-9)19-7-8(12)6-14-19/h6-7H,2-5H2,1H3,(H,13,15,16,17).
What are the key properties of 4-(4-iodopyrazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-(4-iodopyrazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 371.19 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodopyrazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80867983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).