1-(pyrimidin-5-ylmethyl)indazole-3-carboximidamide

C13H12N6 — CID 135357287

IUPAC1-(pyrimidin-5-ylmethyl)indazole-3-carboximidamide
SMILES[H]/N=C(\N)c1nn(Cc2cncnc2)c2ccccc12
InChIInChI=1S/C13H12N6/c14-13(15)12-10-3-1-2-4-11(10)19(18-12)7-9-5-16-8-17-6-9/h1-6,8H,7H2,(H3,14,15)
InChIKeyMQVNRPQNRXEWRA-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.16
Rot. Bonds3

About 1-(pyrimidin-5-ylmethyl)indazole-3-carboximidamide

1-(pyrimidin-5-ylmethyl)indazole-3-carboximidamide (PubChem CID 135357287) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(pyrimidin-5-ylmethyl)indazole-3-carboximidamide.

Molecular Properties

Compound Name1-(pyrimidin-5-ylmethyl)indazole-3-carboximidamide
PubChem CID135357287
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name1-(pyrimidin-5-ylmethyl)indazole-3-carboximidamide
SMILES[H]/N=C(\N)c1nn(Cc2cncnc2)c2ccccc12
InChIInChI=1S/C13H12N6/c14-13(15)12-10-3-1-2-4-11(10)19(18-12)7-9-5-16-8-17-6-9/h1-6,8H,7H2,(H3,14,15)
InChIKeyMQVNRPQNRXEWRA-UHFFFAOYSA-N
XLogP1.16
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methoxyphenyl)methyl]indazole-3-carboximidamide
CID 86732415
1-(pyrimidin-5-ylmethyl)indazole-3-carbonitrile
CID 174925318
1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide
CID 166984841
1-benzylindazole-3-carboxylate
CID 22239042
1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid
CID 11515406
1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid
CID 55178017
5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride
CID 86686151
1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 86679010
4-(benzotriazol-1-ylmethyl)benzenecarboximidamide;hydrochloride
CID 82253488
1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridine-3-carboximidamide
CID 169021002
1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid
CID 63106124
1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 86678983

Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidin-5-ylmethyl)indazole-3-carboximidamide?
The IUPAC name of 1-(pyrimidin-5-ylmethyl)indazole-3-carboximidamide (CID 135357287) is 1-(pyrimidin-5-ylmethyl)indazole-3-carboximidamide.
What is the SMILES notation for 1-(pyrimidin-5-ylmethyl)indazole-3-carboximidamide?
The canonical SMILES for 1-(pyrimidin-5-ylmethyl)indazole-3-carboximidamide is [H]/N=C(\N)c1nn(Cc2cncnc2)c2ccccc12.
What is the InChIKey of 1-(pyrimidin-5-ylmethyl)indazole-3-carboximidamide?
The InChIKey is MQVNRPQNRXEWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6/c14-13(15)12-10-3-1-2-4-11(10)19(18-12)7-9-5-16-8-17-6-9/h1-6,8H,7H2,(H3,14,15).
What are the key properties of 1-(pyrimidin-5-ylmethyl)indazole-3-carboximidamide?
1-(pyrimidin-5-ylmethyl)indazole-3-carboximidamide has a molecular weight of 252.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidin-5-ylmethyl)indazole-3-carboximidamide is sourced from PubChem (CID 135357287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).