CID 163924279

C10H11IN5- — CID 163924279

IUPAC—
SMILESCn1cc(Nc2cc(C3C[I-]3)ncn2)cn1
InChIInChI=1S/C10H11IN5/c1-16-5-7(4-14-16)15-10-2-9(8-3-11-8)12-6-13-10/h2,4-6,8H,3H2,1H3,(H,12,13,15)/q-1
InChIKeyFJPXURXZGWPIMR-UHFFFAOYSA-N
MW328.14 g/mol
LogP-1.90
Rot. Bonds3

About CID 163924279

CID 163924279 (PubChem CID 163924279) has the molecular formula C10H11IN5- and a molecular weight of 328.14 g/mol.

Molecular Properties

Compound NameCID 163924279
PubChem CID163924279
Molecular FormulaC10H11IN5-
Molecular Weight328.14 g/mol
Exact Mass328.01
IUPAC Name—
SMILESCn1cc(Nc2cc(C3C[I-]3)ncn2)cn1
InChIInChI=1S/C10H11IN5/c1-16-5-7(4-14-16)15-10-2-9(8-3-11-8)12-6-13-10/h2,4-6,8H,3H2,1H3,(H,12,13,15)/q-1
InChIKeyFJPXURXZGWPIMR-UHFFFAOYSA-N
XLogP-1.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.14
LogP ≤ 5-1.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-aminopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 151937131
6-hydrazinyl-N-(1-methylpyrazol-4-yl)-5-nitropyrimidin-4-amine
CID 80930058
N-(2,4-dimethylphenyl)-1-methylpyrazol-4-amine
CID 125449684
5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
CID 114919233
2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 130532664
methyl 5-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxylate
CID 103772189
(E)-N-[3-[[[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]but-2-enamide
CID 155556321
6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile
CID 164564729
(1-methylpyrazol-4-yl)hydrazine;hydrochloride
CID 154730377
1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43543834
5-bromo-3-chloro-N-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 103582386
5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 105369180

Frequently Asked Questions

What is the IUPAC name of CID 163924279?
The IUPAC name of CID 163924279 (CID 163924279) is not available.
What is the SMILES notation for CID 163924279?
The canonical SMILES for CID 163924279 is Cn1cc(Nc2cc(C3C[I-]3)ncn2)cn1.
What is the InChIKey of CID 163924279?
The InChIKey is FJPXURXZGWPIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN5/c1-16-5-7(4-14-16)15-10-2-9(8-3-11-8)12-6-13-10/h2,4-6,8H,3H2,1H3,(H,12,13,15)/q-1.
What are the key properties of CID 163924279?
CID 163924279 has a molecular weight of 328.14 g/mol, XLogP of -1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163924279 is sourced from PubChem (CID 163924279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).