1-(1H-indazol-3-yl)-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridinyl]urea

C18H18N8O — CID 151735986

IUPAC1-(1H-indazol-3-yl)-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridinyl]urea
SMILESCC(C)n1cnnc1-c1cc(NC(=O)Nc2n[nH]c3ccccc23)ccn1
InChIInChI=1S/C18H18N8O/c1-11(2)26-10-20-25-17(26)15-9-12(7-8-19-15)21-18(27)22-16-13-5-3-4-6-14(13)23-24-16/h3-11H,1-2H3,(H3,19,21,22,23,24,27)
InChIKeyRLNNUILGKHTPSG-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.44
Rot. Bonds4

About 1-(1H-indazol-3-yl)-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridinyl]urea

1-(1H-indazol-3-yl)-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridinyl]urea (PubChem CID 151735986) has the molecular formula C18H18N8O and a molecular weight of 362.40 g/mol. Its IUPAC name is 1-(1H-indazol-3-yl)-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridinyl]urea.

Molecular Properties

Compound Name1-(1H-indazol-3-yl)-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridinyl]urea
PubChem CID151735986
Molecular FormulaC18H18N8O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name1-(1H-indazol-3-yl)-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridinyl]urea
SMILESCC(C)n1cnnc1-c1cc(NC(=O)Nc2n[nH]c3ccccc23)ccn1
InChIInChI=1S/C18H18N8O/c1-11(2)26-10-20-25-17(26)15-9-12(7-8-19-15)21-18(27)22-16-13-5-3-4-6-14(13)23-24-16/h3-11H,1-2H3,(H3,19,21,22,23,24,27)
InChIKeyRLNNUILGKHTPSG-UHFFFAOYSA-N
XLogP3.44
TPSA113.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-3-yl)-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridinyl]urea?
The IUPAC name of 1-(1H-indazol-3-yl)-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridinyl]urea (CID 151735986) is 1-(1H-indazol-3-yl)-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridinyl]urea.
What is the SMILES notation for 1-(1H-indazol-3-yl)-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridinyl]urea?
The canonical SMILES for 1-(1H-indazol-3-yl)-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridinyl]urea is CC(C)n1cnnc1-c1cc(NC(=O)Nc2n[nH]c3ccccc23)ccn1.
What is the InChIKey of 1-(1H-indazol-3-yl)-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridinyl]urea?
The InChIKey is RLNNUILGKHTPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O/c1-11(2)26-10-20-25-17(26)15-9-12(7-8-19-15)21-18(27)22-16-13-5-3-4-6-14(13)23-24-16/h3-11H,1-2H3,(H3,19,21,22,23,24,27).
What are the key properties of 1-(1H-indazol-3-yl)-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridinyl]urea?
1-(1H-indazol-3-yl)-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridinyl]urea has a molecular weight of 362.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-3-yl)-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridinyl]urea is sourced from PubChem (CID 151735986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).